# generated using pymatgen
data_Li2CuF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.87343000
_cell_length_b   7.87343000
_cell_length_c   5.43454600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuF4
_chemical_formula_sum   'Li8 Cu4 F16'
_cell_volume   336.89239744
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.20650300  0.20650300  0.25000000  1
  Li  Li1  1  0.79349700  0.20650300  0.75000000  1
  Li  Li2  1  0.29349700  0.29349700  0.75000000  1
  Li  Li3  1  0.70650300  0.29349700  0.25000000  1
  Li  Li4  1  0.29349700  0.70650300  0.25000000  1
  Li  Li5  1  0.70650300  0.70650300  0.75000000  1
  Li  Li6  1  0.20650300  0.79349700  0.75000000  1
  Li  Li7  1  0.79349700  0.79349700  0.25000000  1
  Cu  Cu8  1  0.50000000  0.00000000  0.03972000  1
  Cu  Cu9  1  0.50000000  0.00000000  0.53972000  1
  Cu  Cu10  1  0.00000000  0.50000000  0.46028000  1
  Cu  Cu11  1  0.00000000  0.50000000  0.96028000  1
  F  F12  1  0.27425800  0.08242900  0.54918100  1
  F  F13  1  0.72574200  0.08242900  0.04918100  1
  F  F14  1  0.41757100  0.22574200  0.04918100  1
  F  F15  1  0.58242900  0.22574200  0.54918100  1
  F  F16  1  0.08242900  0.27425800  0.95081900  1
  F  F17  1  0.91757100  0.27425800  0.45081900  1
  F  F18  1  0.22574200  0.41757100  0.45081900  1
  F  F19  1  0.77425800  0.41757100  0.95081900  1
  F  F20  1  0.22574200  0.58242900  0.95081900  1
  F  F21  1  0.77425800  0.58242900  0.45081900  1
  F  F22  1  0.91757100  0.72574200  0.95081900  1
  F  F23  1  0.08242900  0.72574200  0.45081900  1
  F  F24  1  0.41757100  0.77425800  0.54918100  1
  F  F25  1  0.58242900  0.77425800  0.04918100  1
  F  F26  1  0.27425800  0.91757100  0.04918100  1
  F  F27  1  0.72574200  0.91757100  0.54918100  1
